Geometry & MOs

Info

ID:

168353

PubChem CID:

74956948

Reduced:

ClS2N4O5C28H31 (1)

Stoich.:

AB2C4D5E28F31 (1)

Weight, g/mol:

620.133018

ΔHf, kcal/mol:

-147.58

Dipole, Da:

5.72

IP(EA), eV:

 -9.02(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Cl)NC(=O)C4=CC5=CC=CC=C5S4

DOS

IR

Vibrations